#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj1 h LYS 3 N 0.00 0.27 -0.43 4.33 3.64 -1.96 -1.79 116.57 120.63 3gj1 h LYS 3 Ca 0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3gj1 h LYS 3 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3gj1 h LYS 3 CO 0.00 0.18 -0.05 0.78 -2.27 0.00 0.00 179.45 178.09 3gj1 h GLY 4 N 0.28 0.86 0.45 5.01 0.00 -1.75 -2.73 103.07 105.19 3gj1 h GLY 4 Ca 0.20 -0.68 0.08 0.00 0.00 0.00 0.00 47.33 46.94 3gj1 h GLY 4 CO -0.23 0.62 0.23 0.83 0.00 0.00 0.00 176.54 177.99 3gj1 h GLU 5 N 0.63 0.40 0.00 4.80 5.08 -1.71 -2.44 114.58 121.34 3gj1 h GLU 5 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3gj1 h GLU 5 Cb 0.57 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3gj1 h GLU 5 CO 0.03 0.27 -0.07 0.93 -1.00 0.00 0.00 179.01 179.17 3gj1 h GLU 6 N 0.42 0.00 0.00 2.33 5.08 -1.02 -1.26 114.58 120.13 3gj1 h GLU 6 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3gj1 h GLU 6 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3gj1 h GLU 6 CO -0.28 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.08 3gj1 n LEU 7 N -3.49 0.68 -0.39 1.33 4.77 -0.92 -3.37 117.00 115.61 3gj1 n LEU 7 Ca -0.02 0.66 0.06 0.00 -0.03 0.00 0.00 56.01 56.69 3gj1 n LEU 7 Cb 0.20 -0.57 0.14 0.00 -2.33 0.00 0.00 43.42 40.86 3gj1 n LEU 7 CO 0.27 -0.55 0.60 0.49 -1.33 0.00 0.00 177.39 176.88 3gj1 n PHE 8 N -2.25 0.35 0.38 -1.77 3.72 -0.47 -4.70 117.46 112.72 3gj1 n PHE 8 Ca 0.02 -0.74 0.14 0.00 -0.05 0.00 0.00 57.45 56.82 3gj1 n PHE 8 Cb 0.24 -0.14 0.49 0.00 -0.94 0.00 0.00 39.48 39.13 3gj1 n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gj1 h THR 9 N 0.91 0.00 -1.50 4.37 1.35 -1.64 -3.38 112.91 113.02 3gj1 h THR 9 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3gj1 h THR 9 Cb 0.94 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3gj1 h THR 9 CO 0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3gj1 n GLY 10 N 0.40 6.10 3.72 5.82 0.00 -1.26 -4.77 105.19 115.20 3gj1 n GLY 10 Ca 0.03 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 3gj1 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj1 s VAL 11 N 0.64 4.89 -0.10 1.61 1.01 -1.26 -4.44 120.40 122.75 3gj1 s VAL 11 Ca 0.00 1.70 0.03 0.00 0.00 0.00 0.00 61.98 63.71 3gj1 s VAL 11 Cb 0.00 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3gj1 s VAL 11 CO 0.00 0.26 -0.21 -0.69 0.00 0.00 0.00 175.10 174.46 3gj1 s VAL 12 N 0.61 1.83 0.43 2.92 1.01 -0.03 -4.96 120.40 122.21 3gj1 s VAL 12 Ca 0.42 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 3gj1 s VAL 12 Cb -0.20 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 3gj1 s VAL 12 CO 0.23 0.51 1.21 -2.84 0.00 0.00 0.00 175.10 174.20 3gj1 s PRO 13 N 0.53 3.86 0.08 2.72 0.02 -1.26 -1.18 135.00 139.76 3gj1 s PRO 13 Ca -0.15 1.91 0.08 0.00 0.02 0.00 0.00 61.00 62.86 3gj1 s PRO 13 Cb -0.17 -2.56 -0.03 0.00 0.02 0.00 0.00 34.50 31.76 3gj1 s PRO 13 CO 0.05 -0.51 -0.22 0.42 -0.33 0.00 0.00 177.00 176.42 3gj1 s ILE 14 N -1.42 1.77 -0.03 2.83 1.01 -0.32 -1.23 121.20 123.80 3gj1 s ILE 14 Ca 0.61 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3gj1 s ILE 14 Cb -0.32 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.58 3gj1 s ILE 14 CO 0.40 0.09 -0.12 -0.22 0.00 0.00 0.00 174.94 175.09 3gj1 s LEU 15 N -1.57 1.82 -0.07 2.97 2.96 -0.81 -2.11 118.68 121.88 3gj1 s LEU 15 Ca 0.08 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 3gj1 s LEU 15 Cb -0.09 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.92 3gj1 s LEU 15 CO 0.03 0.09 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.31 3gj1 s VAL 16 N 0.15 1.34 -0.06 1.68 1.01 0.26 -0.62 120.40 124.16 3gj1 s VAL 16 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3gj1 s VAL 16 Cb -0.10 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3gj1 s VAL 16 CO 0.01 0.40 -0.10 -1.61 0.00 0.00 0.00 175.10 173.79 3gj1 s GLU 17 N 0.50 1.44 -0.05 2.72 0.41 0.04 0.57 118.70 124.33 3gj1 s GLU 17 Ca -0.14 -0.34 0.02 0.00 -0.41 0.00 0.00 54.97 54.11 3gj1 s GLU 17 Cb -0.15 -1.23 0.01 0.00 -1.78 0.00 0.00 34.13 30.97 3gj1 s GLU 17 CO 0.04 0.02 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.57 3gj1 s LEU 18 N 0.65 1.63 -0.19 1.80 0.20 0.24 -0.64 118.68 122.38 3gj1 s LEU 18 Ca -0.13 -0.23 -0.03 0.00 0.69 0.00 0.00 54.13 54.44 3gj1 s LEU 18 Cb -0.15 -0.66 -0.01 0.00 -0.43 0.00 0.00 46.19 44.95 3gj1 s LEU 18 CO 0.03 0.03 -0.07 -1.81 -0.29 0.00 0.00 176.35 174.23 3gj1 s ASP 19 N 0.53 4.17 0.20 3.68 1.01 -0.67 -1.25 116.67 124.34 3gj1 s ASP 19 Ca -0.10 -0.38 0.11 0.00 0.71 0.00 0.00 52.55 52.89 3gj1 s ASP 19 Cb -0.13 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 3gj1 s ASP 19 CO 0.02 0.03 -0.21 -0.83 0.21 0.00 0.00 175.17 174.39 3gj1 s GLY 20 N 1.15 1.72 -0.19 0.21 0.00 -0.01 -0.95 107.32 109.25 3gj1 s GLY 20 Ca 0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 3gj1 s GLY 20 CO -0.02 -1.65 0.24 -0.35 0.00 0.00 0.00 173.10 171.32 3gj1 s ASP 21 N -2.75 1.09 -0.14 1.64 -1.08 -0.37 -1.68 116.67 113.38 3gj1 s ASP 21 Ca 0.22 -0.05 0.02 0.00 -0.52 0.00 0.00 52.55 52.22 3gj1 s ASP 21 Cb -0.08 0.51 0.02 0.00 -1.46 0.00 0.00 42.92 41.90 3gj1 s ASP 21 CO 0.11 -0.31 -0.18 -0.69 0.52 0.00 0.00 175.17 174.62 3gj1 s VAL 22 N 2.36 1.81 -1.04 1.11 1.01 -0.15 0.23 120.40 125.74 3gj1 s VAL 22 Ca 0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3gj1 s VAL 22 Cb -0.15 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.62 3gj1 s VAL 22 CO -0.12 0.50 0.15 0.59 0.00 0.00 0.00 175.10 176.22 3gj1 n ASN 23 N 4.32 -3.65 0.00 3.32 4.13 -0.01 -0.62 115.26 122.75 3gj1 n ASN 23 Ca -0.19 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.12 3gj1 n ASN 23 Cb 0.51 -3.08 0.00 0.00 -1.54 0.00 0.00 39.78 35.66 3gj1 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gj1 n GLY 24 N -0.90 0.81 3.60 7.41 0.00 -1.26 -5.02 105.19 109.83 3gj1 n GLY 24 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3gj1 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gj1 s HIS 25 N -3.18 3.24 0.18 1.61 3.76 0.21 -5.06 115.29 116.04 3gj1 s HIS 25 Ca 0.00 0.47 -0.14 0.00 -0.15 0.00 0.00 55.06 55.24 3gj1 s HIS 25 Cb 0.00 -2.75 -0.07 0.00 1.11 0.00 0.00 32.58 30.87 3gj1 s HIS 25 CO 0.00 -0.34 0.57 0.15 -0.85 0.00 0.00 174.74 174.26 3gj1 s LYS 26 N 2.29 3.96 0.13 1.40 1.02 -1.26 -0.97 119.74 126.30 3gj1 s LYS 26 Ca 0.19 0.48 -0.24 0.00 0.02 0.00 0.00 55.97 56.42 3gj1 s LYS 26 Cb -0.16 -2.84 0.07 0.00 -0.52 0.00 0.00 37.83 34.38 3gj1 s LYS 26 CO 0.10 0.42 0.64 -0.59 -0.92 0.00 0.00 175.35 175.01 3gj1 s PHE 27 N -1.57 -0.52 0.05 3.18 -0.12 -0.68 -4.98 117.98 113.35 3gj1 s PHE 27 Ca 0.41 0.35 0.04 0.00 -0.05 0.00 0.00 56.93 57.68 3gj1 s PHE 27 Cb -0.14 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.77 3gj1 s PHE 27 CO 0.20 -0.80 -0.11 -1.12 -0.05 0.00 0.00 175.22 173.34 3gj1 s SER 28 N -2.63 1.30 -0.02 1.98 0.01 -1.26 -0.83 113.70 112.25 3gj1 s SER 28 Ca 0.01 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 56.75 3gj1 s SER 28 Cb -0.01 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.19 3gj1 s SER 28 CO -0.11 -0.10 -0.09 -0.69 0.41 0.00 0.00 173.24 172.65 3gj1 s VAL 29 N -1.20 0.76 -0.03 3.43 1.01 -0.38 -1.66 120.40 122.33 3gj1 s VAL 29 Ca -0.04 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3gj1 s VAL 29 Cb -0.09 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3gj1 s VAL 29 CO 0.01 0.23 -0.17 -0.44 0.00 0.00 0.00 175.10 174.73 3gj1 s SER 30 N 0.06 3.83 0.16 3.32 0.01 -0.42 -0.59 113.70 120.06 3gj1 s SER 30 Ca -0.01 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.00 3gj1 s SER 30 Cb -0.07 -0.73 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 3gj1 s SER 30 CO 0.00 0.33 -0.02 -0.83 0.41 0.00 0.00 173.24 173.14 3gj1 s GLY 31 N -0.78 1.12 0.08 3.44 0.00 0.19 -0.90 107.32 110.47 3gj1 s GLY 31 Ca 0.12 -1.53 -0.23 0.00 0.00 0.00 0.00 44.72 43.07 3gj1 s GLY 31 CO 0.01 -1.52 0.55 -1.83 0.00 0.00 0.00 173.10 170.31 3gj1 s GLU 32 N -3.89 1.12 0.00 2.90 -1.05 -0.63 -0.57 118.70 116.58 3gj1 s GLU 32 Ca 0.21 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.73 3gj1 s GLU 32 Cb 0.06 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 3gj1 s GLU 32 CO 0.02 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.21 3gj1 n GLY 33 N 0.15 -0.61 3.46 -3.83 0.00 -0.90 -1.56 105.19 101.90 3gj1 n GLY 33 Ca -0.18 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3gj1 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gj1 s GLU 34 N -0.69 1.05 0.04 1.61 -1.05 -0.62 -1.18 118.70 117.86 3gj1 s GLU 34 Ca 0.00 -0.36 0.03 0.00 -0.15 0.00 0.00 54.97 54.50 3gj1 s GLU 34 Cb 0.00 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.16 3gj1 s GLU 34 CO 0.00 -0.46 -0.10 0.20 0.95 0.00 0.00 175.26 175.85 3gj1 s GLY 35 N -2.54 0.61 -0.35 -3.83 0.00 -0.32 -1.71 107.32 99.17 3gj1 s GLY 35 Ca 0.02 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 44.00 3gj1 s GLY 35 CO -0.10 -0.75 0.19 -0.35 0.00 0.00 0.00 173.10 172.08 3gj1 s ASP 36 N -1.26 3.38 0.38 1.64 -1.08 -0.32 -0.85 116.67 118.57 3gj1 s ASP 36 Ca -0.03 -2.05 0.28 0.00 -0.52 0.00 0.00 52.55 50.23 3gj1 s ASP 36 Cb -0.08 -0.61 1.19 0.00 -1.46 0.00 0.00 42.92 41.97 3gj1 s ASP 36 CO 0.01 -0.34 1.83 0.00 0.52 0.00 0.00 175.17 177.19 3gj1 h ALA 37 N 7.36 1.00 -0.35 3.66 0.00 -1.73 -0.30 119.26 128.89 3gj1 h ALA 37 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gj1 h ALA 37 Cb 0.97 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3gj1 h ALA 37 CO 0.38 0.00 0.10 1.15 0.00 0.00 0.00 179.25 180.88 3gj1 h THR 38 N 0.00 1.15 0.00 0.00 2.02 -1.86 -2.96 112.91 111.27 3gj1 h THR 38 Ca 0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3gj1 h THR 38 Cb 0.38 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3gj1 h THR 38 CO 0.00 0.19 -0.95 -1.22 0.37 0.00 0.00 175.52 173.91 3gj1 n TYR 39 N -4.36 0.00 -2.19 3.16 4.01 -0.69 -4.95 117.16 112.13 3gj1 n TYR 39 Ca 0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 3gj1 n TYR 39 Cb 0.17 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.18 3gj1 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gj1 n GLY 40 N 1.47 -0.05 3.60 2.72 0.00 -0.21 -4.76 105.19 107.96 3gj1 n GLY 40 Ca 0.04 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 3gj1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gj1 s LYS 41 N -4.51 2.88 -0.01 1.61 2.20 -0.83 0.07 119.74 121.16 3gj1 s LYS 41 Ca 0.00 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 3gj1 s LYS 41 Cb 0.00 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.65 3gj1 s LYS 41 CO 0.00 0.64 -0.12 -0.51 -0.36 0.00 0.00 175.35 175.00 3gj1 s LEU 42 N -0.73 2.00 -0.06 5.43 1.43 0.49 -1.17 118.68 126.08 3gj1 s LEU 42 Ca 0.11 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3gj1 s LEU 42 Cb -0.11 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 45.51 3gj1 s LEU 42 CO 0.02 0.14 -0.07 0.42 0.23 0.00 0.00 176.35 177.08 3gj1 s THR 43 N -0.23 0.78 -0.02 5.49 -4.23 -0.69 -1.50 115.64 115.23 3gj1 s THR 43 Ca 0.04 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.19 3gj1 s THR 43 Cb -0.05 -0.77 0.02 0.00 1.34 0.00 0.00 72.50 73.04 3gj1 s THR 43 CO -0.00 0.28 0.24 -0.76 -0.54 0.00 0.00 174.62 173.84 3gj1 s LEU 44 N 0.94 1.13 -0.06 4.79 1.43 -0.58 -1.60 118.68 124.74 3gj1 s LEU 44 Ca -0.10 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 3gj1 s LEU 44 Cb -0.15 0.99 0.02 0.00 0.03 0.00 0.00 46.19 47.08 3gj1 s LEU 44 CO 0.00 -0.35 -0.09 -0.75 0.23 0.00 0.00 176.35 175.39 3gj1 s LYS 45 N -1.07 1.37 0.00 1.70 2.20 -0.60 -0.77 119.74 122.57 3gj1 s LYS 45 Ca -0.11 -0.31 0.08 0.00 -0.36 0.00 0.00 55.97 55.27 3gj1 s LYS 45 Cb -0.05 -1.19 -0.02 0.00 -1.51 0.00 0.00 37.83 35.05 3gj1 s LYS 45 CO 0.03 -0.00 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.70 3gj1 s PHE 46 N 0.72 2.35 -0.11 4.03 0.08 -0.01 -1.60 117.98 123.44 3gj1 s PHE 46 Ca -0.13 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.54 3gj1 s PHE 46 Cb -0.15 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3gj1 s PHE 46 CO 0.02 0.03 -0.21 0.42 -0.10 0.00 0.00 175.22 175.39 3gj1 s ILE 47 N -0.69 1.90 -0.21 0.64 -1.09 -0.07 -1.11 121.20 120.56 3gj1 s ILE 47 Ca 0.11 -0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 57.33 3gj1 s ILE 47 Cb -0.10 -1.67 -0.01 0.00 -1.58 0.00 0.00 42.46 39.11 3gj1 s ILE 47 CO 0.00 0.52 1.23 0.00 -1.23 0.00 0.00 174.94 175.46 3gj1 n THR 49 N 5.57 0.09 0.62 0.00 -2.24 -0.66 -4.11 114.28 113.56 3gj1 n THR 49 Ca 0.14 -0.40 0.07 0.00 -2.27 0.00 0.00 64.05 61.58 3gj1 n THR 49 Cb 0.45 0.85 0.02 0.00 -2.10 0.00 0.00 70.33 69.55 3gj1 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gj1 n THR 50 N 0.72 0.00 0.00 4.28 -2.24 -1.26 -4.97 114.28 110.81 3gj1 n THR 50 Ca 0.17 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3gj1 n THR 50 Cb 0.46 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 3gj1 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gj1 n GLY 51 N 0.98 0.34 3.75 3.38 0.00 -1.26 -5.03 105.19 107.36 3gj1 n GLY 51 Ca 0.07 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 3gj1 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gj1 s LYS 52 N -0.83 4.59 0.22 1.61 2.47 -1.26 -4.53 119.74 122.00 3gj1 s LYS 52 Ca 0.00 1.78 -0.32 0.00 -1.56 0.00 0.00 55.97 55.87 3gj1 s LYS 52 Cb 0.00 -3.24 -0.13 0.00 -1.46 0.00 0.00 37.83 33.01 3gj1 s LYS 52 CO 0.00 0.09 1.59 -0.11 0.16 0.00 0.00 175.35 177.08 3gj1 n LEU 53 N 1.95 3.61 -0.32 5.43 7.94 -1.26 -4.90 117.00 129.44 3gj1 n LEU 53 Ca 0.02 1.10 0.07 0.00 -1.11 0.00 0.00 56.01 56.09 3gj1 n LEU 53 Cb 0.45 -1.50 0.30 0.00 0.53 0.00 0.00 43.42 43.20 3gj1 n LEU 53 CO 0.54 -0.11 0.71 -0.81 -1.11 0.00 0.00 177.39 176.62 3gj1 n PRO 54 N 3.04 1.42 -4.31 1.96 -0.04 -1.26 -4.79 135.00 131.02 3gj1 n PRO 54 Ca 0.14 -0.64 -0.16 0.00 -0.04 0.00 0.00 63.50 62.80 3gj1 n PRO 54 Cb 0.33 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3gj1 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gj1 s VAL 55 N -1.83 0.70 0.19 0.52 -7.23 -1.26 -4.56 120.40 106.93 3gj1 s VAL 55 Ca 0.23 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 3gj1 s VAL 55 Cb 0.12 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.51 3gj1 s VAL 55 CO 0.18 -0.18 1.30 -2.84 -0.31 0.00 0.00 175.10 173.25 3gj1 s PRO 56 N -3.97 4.40 0.28 4.82 0.02 -1.26 -4.93 135.00 134.37 3gj1 s PRO 56 Ca 0.33 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.39 3gj1 s PRO 56 Cb 0.07 -3.21 0.69 0.00 0.02 0.00 0.00 34.50 32.07 3gj1 s PRO 56 CO 0.10 -0.25 1.68 -1.49 -0.33 0.00 0.00 177.00 176.72 3gj1 h TRP 57 N 5.51 0.52 0.00 6.54 4.06 -1.96 -1.49 115.95 129.13 3gj1 h TRP 57 Ca -0.44 0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.55 3gj1 h TRP 57 Cb 1.21 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3gj1 h TRP 57 CO 0.62 -0.10 -0.01 -1.35 -3.56 0.00 0.00 178.44 174.04 3gj1 h PRO 58 N 0.33 0.00 0.00 0.49 0.11 -1.89 -1.50 132.00 129.54 3gj1 h PRO 58 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3gj1 h PRO 58 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gj1 h PRO 58 CO -0.56 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 177.49 3gj1 n THR 59 N -4.10 0.99 0.95 -1.15 -2.24 -0.56 -2.67 114.28 105.51 3gj1 n THR 59 Ca -0.03 0.27 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 3gj1 n THR 59 Cb 0.10 -1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 67.17 3gj1 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gj1 n LEU 60 N -1.78 1.48 -0.07 3.22 4.77 -0.57 -4.65 117.00 119.39 3gj1 n LEU 60 Ca 0.03 -0.64 -0.07 0.00 -0.03 0.00 0.00 56.01 55.30 3gj1 n LEU 60 Cb 0.18 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3gj1 n LEU 60 CO 0.15 0.30 0.72 0.58 -1.33 0.00 0.00 177.39 177.81 3gj1 h VAL 61 N 1.21 0.44 0.00 4.08 2.07 -1.54 -1.27 116.25 121.25 3gj1 h VAL 61 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3gj1 h VAL 61 Cb 0.60 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3gj1 h VAL 61 CO 0.00 0.00 -0.25 0.71 0.02 0.00 0.00 177.57 178.05 3gj1 h THR 62 N -0.17 1.05 -0.11 2.57 1.35 -1.82 -2.93 112.91 112.83 3gj1 h THR 62 Ca 0.16 -0.91 -0.12 0.00 -0.55 0.00 0.00 66.41 64.99 3gj1 h THR 62 Cb 0.42 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3gj1 h THR 62 CO -0.41 0.25 -0.39 0.74 -0.25 0.00 0.00 175.52 175.46 3gj1 h THR 63 N 0.00 1.38 0.00 6.82 2.02 -1.57 -3.45 112.91 118.10 3gj1 h THR 63 Ca -0.00 -1.72 -0.33 0.00 0.77 0.00 0.00 66.41 65.13 3gj1 h THR 63 Cb 0.49 2.16 0.01 0.00 -1.74 0.00 0.00 68.15 69.07 3gj1 h THR 63 CO 0.03 0.51 2.37 0.49 0.37 0.00 0.00 175.52 179.29 3gj1 n PHE 64 N -4.32 1.18 0.00 3.16 3.72 -0.66 -5.03 117.46 115.51 3gj1 n PHE 64 Ca -0.08 -1.77 0.00 0.00 -0.05 0.00 0.00 57.45 55.55 3gj1 n PHE 64 Cb 0.54 -1.53 0.00 0.00 -0.94 0.00 0.00 39.48 37.54 3gj1 n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gj1 n VAL 68 N 4.25 0.00 0.65 -4.37 0.24 -1.26 -5.00 118.33 112.84 3gj1 n VAL 68 Ca 0.39 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.77 3gj1 n VAL 68 Cb 0.12 0.00 0.37 0.00 -1.47 0.00 0.00 33.84 32.86 3gj1 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gj1 n GLN 69 N 0.00 0.13 0.25 7.34 6.02 -1.26 -1.45 117.38 128.41 3gj1 n GLN 69 Ca 0.00 0.18 0.16 0.00 -0.01 0.00 0.00 57.00 57.33 3gj1 n GLN 69 Cb 0.00 -1.50 0.74 0.00 1.02 0.00 0.00 30.24 30.50 3gj1 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj1 n PHE 71 N -3.11 0.66 -2.06 0.00 3.72 -0.53 -4.71 117.46 111.42 3gj1 n PHE 71 Ca 0.01 -0.32 -0.38 0.00 -0.05 0.00 0.00 57.45 56.71 3gj1 n PHE 71 Cb 0.52 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.06 3gj1 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3gj1 s SER 72 N -0.99 5.81 -0.46 4.37 0.01 -0.79 -4.12 113.70 117.53 3gj1 s SER 72 Ca 0.32 2.50 -0.27 0.00 1.31 0.00 0.00 55.95 59.81 3gj1 s SER 72 Cb 0.17 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.81 3gj1 s SER 72 CO 0.22 -1.18 1.04 -0.60 0.41 0.00 0.00 173.24 173.13 3gj1 s ARG 73 N -2.77 3.66 -0.21 12.44 3.52 -0.23 -4.82 118.95 130.55 3gj1 s ARG 73 Ca 0.67 0.42 -0.20 0.00 -0.13 0.00 0.00 55.73 56.49 3gj1 s ARG 73 Cb -0.34 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.12 3gj1 s ARG 73 CO 0.40 -1.28 0.58 0.71 -0.81 0.00 0.00 175.30 174.91 3gj1 s TYR 74 N 4.09 3.36 0.61 5.12 1.51 -1.26 -1.18 117.35 129.59 3gj1 s TYR 74 Ca 0.43 0.84 -0.18 0.00 -1.01 0.00 0.00 57.07 57.15 3gj1 s TYR 74 Cb -0.09 -2.75 -0.05 0.00 -0.11 0.00 0.00 41.96 38.96 3gj1 s TYR 74 CO 0.28 -0.17 0.98 -2.30 -1.11 0.00 0.00 175.55 173.22 3gj1 n PRO 75 N 5.07 0.89 -0.29 -1.71 -0.02 -1.26 -4.78 135.00 132.90 3gj1 n PRO 75 Ca -0.03 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 61.92 3gj1 n PRO 75 Cb 0.50 -2.18 0.27 0.00 -0.02 0.00 0.00 33.50 32.07 3gj1 n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gj1 h ASP 76 N 0.47 0.10 0.47 2.55 3.45 -2.00 0.37 116.42 121.83 3gj1 h ASP 76 Ca -0.49 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3gj1 h ASP 76 Cb 1.36 0.21 0.00 0.00 -0.56 0.00 0.00 39.33 40.35 3gj1 h ASP 76 CO 0.51 -0.09 0.00 0.00 -1.57 0.00 0.00 179.24 178.09 3gj1 n HIS 77 N -5.16 0.26 -0.29 4.55 1.44 -1.26 -2.49 115.22 112.27 3gj1 n HIS 77 Ca 0.20 0.11 0.07 0.00 -2.01 0.00 0.00 57.72 56.09 3gj1 n HIS 77 Cb 0.63 -0.68 0.21 0.00 0.12 0.00 0.00 29.99 30.27 3gj1 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3gj1 n MET 78 N -1.75 2.89 0.22 -1.40 2.81 0.13 -4.71 117.12 115.32 3gj1 n MET 78 Ca 0.02 -2.28 0.10 0.00 -1.81 0.00 0.00 57.70 53.73 3gj1 n MET 78 Cb 0.16 -1.40 0.50 0.00 -0.71 0.00 0.00 33.22 31.77 3gj1 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3gj1 h LYS 79 N 2.61 0.00 0.00 0.03 1.57 -1.25 -0.45 116.57 119.08 3gj1 h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gj1 h LYS 79 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3gj1 h LYS 79 CO 0.03 0.23 0.00 2.89 -0.57 0.00 0.00 179.45 182.03 3gj1 n ARG 80 N -3.51 0.14 -0.23 3.15 0.00 -1.26 -2.79 116.66 112.16 3gj1 n ARG 80 Ca -0.01 0.19 0.07 0.00 -0.00 0.00 0.00 57.85 58.11 3gj1 n ARG 80 Cb 0.39 -1.50 0.20 0.00 -0.00 0.00 0.00 32.46 31.55 3gj1 n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3gj1 n HIS 81 N -1.34 0.60 -3.05 2.89 8.25 -0.18 -4.60 115.22 117.79 3gj1 n HIS 81 Ca 0.05 -0.49 -0.44 0.00 -0.26 0.00 0.00 57.72 56.58 3gj1 n HIS 81 Cb 0.12 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 3gj1 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gj1 s ASP 82 N -1.01 7.01 0.23 0.41 -1.08 -1.12 -4.52 116.67 116.59 3gj1 s ASP 82 Ca 0.31 -2.91 -0.07 0.00 -0.52 0.00 0.00 52.55 49.36 3gj1 s ASP 82 Cb 0.16 -2.35 0.34 0.00 -1.46 0.00 0.00 42.92 39.61 3gj1 s ASP 82 CO 0.21 -0.70 1.79 0.15 0.52 0.00 0.00 175.17 177.13 3gj1 h PHE 83 N 7.43 0.67 -0.25 -5.34 3.57 -1.88 -2.98 116.94 118.16 3gj1 h PHE 83 Ca 0.24 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3gj1 h PHE 83 Cb 0.92 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3gj1 h PHE 83 CO 1.04 0.26 -0.03 0.74 -2.23 0.00 0.00 178.31 178.08 3gj1 h PHE 84 N 0.64 0.52 -0.04 0.41 0.04 -1.89 -0.87 116.94 115.75 3gj1 h PHE 84 Ca 0.35 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 60.91 3gj1 h PHE 84 Cb 0.35 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3gj1 h PHE 84 CO -0.10 0.67 -0.47 0.87 -0.60 0.00 0.00 178.31 178.68 3gj1 h LYS 85 N 0.23 0.10 0.00 1.51 1.57 -1.84 -3.18 116.57 114.95 3gj1 h LYS 85 Ca 0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3gj1 h LYS 85 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3gj1 h LYS 85 CO 0.02 0.55 -0.10 0.66 -0.57 0.00 0.00 179.45 180.01 3gj1 h SER 86 N 0.08 0.00 0.74 0.86 4.64 -1.01 -1.65 113.55 117.21 3gj1 h SER 86 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gj1 h SER 86 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3gj1 h SER 86 CO 0.07 0.10 -0.10 0.00 -0.87 0.00 0.00 176.83 176.03 3gj1 n ALA 87 N -2.17 2.62 -2.32 5.18 0.00 -0.88 -4.79 120.51 118.15 3gj1 n ALA 87 Ca -0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 3gj1 n ALA 87 Cb 0.33 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 3gj1 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gj1 s MET 88 N -2.84 3.73 0.01 0.00 1.00 -0.62 -0.45 119.30 120.13 3gj1 s MET 88 Ca 0.18 0.29 0.26 0.00 0.00 0.00 0.00 55.69 56.42 3gj1 s MET 88 Cb 0.19 -2.50 0.67 0.00 0.00 0.00 0.00 34.83 33.19 3gj1 s MET 88 CO 0.54 0.08 1.53 -0.35 0.00 0.00 0.00 175.02 176.82 3gj1 n PRO 89 N -1.07 0.02 -0.11 2.03 -0.04 -1.26 -3.96 135.00 130.61 3gj1 n PRO 89 Ca 0.01 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 3gj1 n PRO 89 Cb 0.54 -1.52 0.33 0.00 -0.04 0.00 0.00 33.50 32.82 3gj1 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gj1 h GLU 90 N 0.00 0.77 0.00 0.54 3.07 -1.90 -2.65 114.58 114.42 3gj1 h GLU 90 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3gj1 h GLU 90 Cb 0.52 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3gj1 h GLU 90 CO 0.00 0.51 0.00 0.41 -1.40 0.00 0.00 179.01 178.53 3gj1 n GLY 91 N -1.45 -1.76 3.12 -3.84 0.00 0.40 -4.71 105.19 96.95 3gj1 n GLY 91 Ca 0.06 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 3gj1 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gj1 s TYR 92 N -0.25 0.38 -0.07 1.61 -0.85 -0.27 -1.01 117.35 116.89 3gj1 s TYR 92 Ca 0.00 -0.87 -0.12 0.00 -0.52 0.00 0.00 57.07 55.56 3gj1 s TYR 92 Cb 0.00 -0.27 -0.05 0.00 0.38 0.00 0.00 41.96 42.02 3gj1 s TYR 92 CO 0.00 -0.41 0.30 0.08 -1.52 0.00 0.00 175.55 174.00 3gj1 s VAL 93 N -3.68 5.24 -0.18 -3.49 1.01 0.52 -0.97 120.40 118.85 3gj1 s VAL 93 Ca 0.04 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.62 3gj1 s VAL 93 Cb 0.06 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.87 3gj1 s VAL 93 CO -0.09 0.54 -0.12 -1.58 0.00 0.00 0.00 175.10 173.85 3gj1 s GLN 94 N -0.67 2.10 0.02 2.72 0.74 0.50 -1.81 119.66 123.26 3gj1 s GLN 94 Ca 0.20 -0.71 0.05 0.00 0.05 0.00 0.00 55.36 54.94 3gj1 s GLN 94 Cb -0.14 -2.27 -0.03 0.00 1.10 0.00 0.00 33.01 31.67 3gj1 s GLN 94 CO 0.08 -0.35 -0.13 -1.21 -0.55 0.00 0.00 175.29 173.14 3gj1 s GLU 95 N 1.45 2.33 0.03 1.67 2.02 -0.45 -0.60 118.70 125.15 3gj1 s GLU 95 Ca 0.01 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.17 3gj1 s GLU 95 Cb -0.15 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 3gj1 s GLU 95 CO -0.09 0.58 -0.05 1.03 0.02 0.00 0.00 175.26 176.75 3gj1 s ARG 96 N -1.36 0.43 -0.17 1.61 0.52 -0.56 -1.22 118.95 118.20 3gj1 s ARG 96 Ca 0.15 -0.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.56 3gj1 s ARG 96 Cb -0.11 -0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.32 3gj1 s ARG 96 CO 0.06 -0.03 -0.01 0.99 0.02 0.00 0.00 175.30 176.34 3gj1 s THR 97 N -1.80 4.13 -0.23 0.02 2.01 -0.33 -0.97 115.64 118.47 3gj1 s THR 97 Ca -0.10 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3gj1 s THR 97 Cb -0.07 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.65 3gj1 s THR 97 CO -0.02 0.48 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.63 3gj1 s ILE 98 N 0.41 2.23 -0.33 1.82 1.01 0.67 -1.33 121.20 125.69 3gj1 s ILE 98 Ca -0.02 -1.35 -0.07 0.00 0.00 0.00 0.00 60.65 59.21 3gj1 s ILE 98 Cb -0.14 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.18 3gj1 s ILE 98 CO 0.02 0.17 0.10 -0.44 0.00 0.00 0.00 174.94 174.80 3gj1 s SER 99 N 1.19 5.28 -0.21 3.58 0.01 0.23 -1.02 113.70 122.76 3gj1 s SER 99 Ca -0.04 -0.98 -0.25 0.00 1.31 0.00 0.00 55.95 56.00 3gj1 s SER 99 Cb -0.17 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 3gj1 s SER 99 CO -0.07 -0.29 0.81 -0.36 0.41 0.00 0.00 173.24 173.75 3gj1 s PHE 100 N 1.45 3.36 0.12 2.43 0.08 -0.75 -0.92 117.98 123.73 3gj1 s PHE 100 Ca 0.00 1.16 -0.34 0.00 0.12 0.00 0.00 56.93 57.87 3gj1 s PHE 100 Cb -0.19 -3.02 -0.14 0.00 -0.57 0.00 0.00 43.02 39.11 3gj1 s PHE 100 CO 0.03 -0.32 1.60 1.17 -0.10 0.00 0.00 175.22 177.60 3gj1 n LYS 101 N 5.64 2.05 -2.16 0.44 3.00 -0.51 -0.72 118.16 125.90 3gj1 n LYS 101 Ca 0.05 0.74 -0.17 0.00 -0.00 0.00 0.00 58.31 58.92 3gj1 n LYS 101 Cb 0.48 -2.51 -0.03 0.00 0.00 0.00 0.00 35.03 32.98 3gj1 n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3gj1 n ASP 102 N 3.80 -4.98 -0.16 3.14 8.00 -1.26 -4.86 116.55 120.22 3gj1 n ASP 102 Ca 0.18 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.85 3gj1 n ASP 102 Cb 0.28 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 3gj1 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gj1 n ASP 103 N -1.67 0.00 -2.00 -2.24 -0.08 0.10 -4.94 116.55 105.72 3gj1 n ASP 103 Ca -0.20 -0.16 0.00 0.00 -1.51 0.00 0.00 54.79 52.92 3gj1 n ASP 103 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 3gj1 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gj1 n GLY 104 N 0.00 -0.22 3.17 0.27 0.00 -1.21 -4.56 105.19 102.65 3gj1 n GLY 104 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3gj1 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj1 s ASN 105 N -1.00 1.38 -0.02 1.61 2.20 -0.97 -1.82 114.94 116.32 3gj1 s ASN 105 Ca 0.00 -0.85 -0.02 0.00 -0.94 0.00 0.00 52.86 51.05 3gj1 s ASN 105 Cb 0.00 0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.24 3gj1 s ASN 105 CO 0.00 -0.31 0.11 -0.31 -2.94 0.00 0.00 177.10 173.65 3gj1 s TYR 106 N -2.69 3.38 -0.07 1.54 2.02 -0.19 -1.80 117.35 119.55 3gj1 s TYR 106 Ca 0.07 0.28 0.05 0.00 -0.37 0.00 0.00 57.07 57.09 3gj1 s TYR 106 Cb -0.01 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3gj1 s TYR 106 CO -0.01 0.59 -0.22 0.15 -1.57 0.00 0.00 175.55 174.49 3gj1 s LYS 107 N -1.69 2.74 0.06 -0.62 1.02 -0.17 -0.23 119.74 120.84 3gj1 s LYS 107 Ca 0.23 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.43 3gj1 s LYS 107 Cb -0.12 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 3gj1 s LYS 107 CO 0.14 0.36 -0.16 0.95 -0.92 0.00 0.00 175.35 175.72 3gj1 s THR 108 N -0.09 1.29 -0.05 2.17 -4.23 -0.14 -1.47 115.64 113.12 3gj1 s THR 108 Ca -0.05 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 3gj1 s THR 108 Cb -0.14 -1.18 0.03 0.00 1.34 0.00 0.00 72.50 72.54 3gj1 s THR 108 CO 0.04 -0.05 0.01 -0.60 -0.54 0.00 0.00 174.62 173.48 3gj1 s ARG 109 N -1.47 0.39 0.12 3.99 3.52 -0.65 -1.50 118.95 123.35 3gj1 s ARG 109 Ca 0.02 0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.81 3gj1 s ARG 109 Cb -0.09 -0.71 -0.04 0.00 -1.56 0.00 0.00 34.95 32.56 3gj1 s ARG 109 CO 0.02 -0.23 -0.14 0.00 -0.81 0.00 0.00 175.30 174.14 3gj1 s ALA 110 N 1.61 1.49 -0.12 6.12 0.00 0.24 -0.69 121.76 130.40 3gj1 s ALA 110 Ca -0.01 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.68 3gj1 s ALA 110 Cb -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3gj1 s ALA 110 CO -0.03 0.10 -0.18 -1.21 0.00 0.00 0.00 175.76 174.44 3gj1 s GLU 111 N -2.65 3.22 -0.20 0.00 2.02 -0.23 -0.37 118.70 120.49 3gj1 s GLU 111 Ca 0.09 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.30 3gj1 s GLU 111 Cb -0.05 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.71 3gj1 s GLU 111 CO 0.03 0.16 -0.16 0.08 0.02 0.00 0.00 175.26 175.40 3gj1 s VAL 112 N 0.43 2.34 -0.03 2.63 1.01 -0.14 -2.03 120.40 124.61 3gj1 s VAL 112 Ca -0.13 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 3gj1 s VAL 112 Cb -0.17 -2.05 0.10 0.00 0.00 0.00 0.00 36.38 34.26 3gj1 s VAL 112 CO 0.06 0.45 0.84 -1.59 0.00 0.00 0.00 175.10 174.85 3gj1 s LYS 113 N 1.31 0.87 0.22 2.72 -2.85 -0.92 -1.12 119.74 119.97 3gj1 s LYS 113 Ca 0.04 -0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 54.60 3gj1 s LYS 113 Cb -0.14 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 35.95 3gj1 s LYS 113 CO -0.10 -0.34 1.11 -0.06 0.10 0.00 0.00 175.35 176.06 3gj1 s PHE 114 N -2.33 3.57 -0.46 1.78 0.40 -1.00 -0.87 117.98 119.07 3gj1 s PHE 114 Ca -0.00 1.62 0.03 0.00 -0.60 0.00 0.00 56.93 57.98 3gj1 s PHE 114 Cb -0.01 -3.30 0.13 0.00 0.51 0.00 0.00 43.02 40.35 3gj1 s PHE 114 CO -0.03 -0.65 0.21 -1.21 0.70 0.00 0.00 175.22 174.24 3gj1 s GLU 115 N -0.80 1.64 7.45 0.44 2.02 -0.48 -4.91 118.70 124.06 3gj1 s GLU 115 Ca 0.48 -2.25 0.00 0.00 0.02 0.00 0.00 54.97 53.21 3gj1 s GLU 115 Cb -0.31 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 30.97 3gj1 s GLU 115 CO 0.38 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.97 3gj1 n GLY 116 N 3.50 2.70 0.31 -1.39 0.00 -1.26 -3.18 105.19 105.86 3gj1 n GLY 116 Ca 0.05 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.91 3gj1 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gj1 n ASP 117 N 6.41 0.92 -4.18 1.61 5.68 -1.26 -4.88 116.55 120.85 3gj1 n ASP 117 Ca 0.00 -1.62 -0.25 0.00 -0.50 0.00 0.00 54.79 52.42 3gj1 n ASP 117 Cb 0.00 -0.06 -0.15 0.00 -1.14 0.00 0.00 41.12 39.77 3gj1 n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3gj1 s THR 118 N -1.87 1.42 -0.22 2.12 2.01 -1.19 -4.44 115.64 113.46 3gj1 s THR 118 Ca 0.28 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 61.23 3gj1 s THR 118 Cb 0.14 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 3gj1 s THR 118 CO 0.22 0.33 0.63 -0.22 -0.69 0.00 0.00 174.62 174.90 3gj1 s LEU 119 N -0.60 4.10 -0.06 4.42 1.98 -0.36 -1.38 118.68 126.79 3gj1 s LEU 119 Ca 0.06 0.78 0.04 0.00 -2.89 0.00 0.00 54.13 52.13 3gj1 s LEU 119 Cb -0.07 -2.87 -0.02 0.00 0.66 0.00 0.00 46.19 43.88 3gj1 s LEU 119 CO -0.00 -0.32 -0.18 -0.69 -1.89 0.00 0.00 176.35 173.26 3gj1 s VAL 120 N 2.19 2.67 -0.26 1.68 1.01 -0.05 -1.93 120.40 125.72 3gj1 s VAL 120 Ca 0.28 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3gj1 s VAL 120 Cb -0.16 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.25 3gj1 s VAL 120 CO 0.09 0.58 -0.09 0.21 0.00 0.00 0.00 175.10 175.89 3gj1 s ASN 121 N -0.45 4.37 -0.29 3.32 2.47 0.21 -2.17 114.94 122.39 3gj1 s ASN 121 Ca 0.05 -1.22 -0.04 0.00 0.42 0.00 0.00 52.86 52.07 3gj1 s ASN 121 Cb -0.12 -1.59 0.03 0.00 -1.45 0.00 0.00 41.25 38.12 3gj1 s ASN 121 CO 0.02 -0.17 0.03 -0.13 -3.72 0.00 0.00 177.10 173.12 3gj1 s ARG 122 N 1.18 2.77 -0.01 0.43 0.52 -0.86 -0.78 118.95 122.20 3gj1 s ARG 122 Ca -0.06 -1.05 0.07 0.00 -0.52 0.00 0.00 55.73 54.17 3gj1 s ARG 122 Cb -0.19 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 3gj1 s ARG 122 CO -0.05 -0.52 -0.21 0.42 0.02 0.00 0.00 175.30 174.96 3gj1 s ILE 123 N 1.38 2.51 -0.12 1.52 1.09 0.18 -1.06 121.20 126.70 3gj1 s ILE 123 Ca -0.01 -1.04 -0.01 0.00 -1.10 0.00 0.00 60.65 58.49 3gj1 s ILE 123 Cb -0.18 -1.96 -0.03 0.00 -1.06 0.00 0.00 42.46 39.24 3gj1 s ILE 123 CO 0.00 0.51 -0.07 -0.70 -0.10 0.00 0.00 174.94 174.58 3gj1 s GLU 124 N -0.88 3.29 -0.04 2.79 2.56 0.13 -1.67 118.70 124.88 3gj1 s GLU 124 Ca 0.12 -0.57 0.04 0.00 0.00 0.00 0.00 54.97 54.56 3gj1 s GLU 124 Cb -0.10 -2.74 -0.00 0.00 2.00 0.00 0.00 34.13 33.29 3gj1 s GLU 124 CO 0.01 0.38 -0.16 -1.17 -0.56 0.00 0.00 175.26 173.76 3gj1 s LEU 125 N -0.05 1.91 -0.08 2.70 0.20 -0.13 -1.63 118.68 121.60 3gj1 s LEU 125 Ca 0.00 -0.33 0.02 0.00 0.69 0.00 0.00 54.13 54.51 3gj1 s LEU 125 Cb -0.13 -0.91 0.01 0.00 -0.43 0.00 0.00 46.19 44.73 3gj1 s LEU 125 CO 0.03 0.15 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.36 3gj1 s LYS 126 N 0.01 1.85 -0.07 1.98 2.20 -0.54 -1.24 119.74 123.93 3gj1 s LYS 126 Ca -0.03 -0.45 0.06 0.00 -0.36 0.00 0.00 55.97 55.19 3gj1 s LYS 126 Cb -0.11 -1.56 -0.01 0.00 -1.51 0.00 0.00 37.83 34.65 3gj1 s LYS 126 CO 0.02 -0.01 -0.24 0.20 -0.36 0.00 0.00 175.35 174.95 3gj1 s GLY 127 N 0.82 1.29 0.13 5.54 0.00 0.14 -1.00 107.32 114.23 3gj1 s GLY 127 Ca -0.11 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.63 3gj1 s GLY 127 CO 0.02 -0.56 -0.09 -0.26 0.00 0.00 0.00 173.10 172.21 3gj1 s ILE 128 N -0.03 1.01 -1.36 0.90 -4.36 -0.74 -0.83 121.20 115.78 3gj1 s ILE 128 Ca -0.07 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 3gj1 s ILE 128 Cb -0.15 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.85 3gj1 s ILE 128 CO 0.05 -0.74 0.00 0.47 0.24 0.00 0.00 174.94 174.96 3gj1 n ASP 129 N -0.01 -4.51 -4.77 4.36 8.00 -1.26 -2.29 116.55 116.07 3gj1 n ASP 129 Ca -0.12 0.22 -0.38 0.00 0.71 0.00 0.00 54.79 55.23 3gj1 n ASP 129 Cb 0.60 -3.38 -0.05 0.00 -0.02 0.00 0.00 41.12 38.27 3gj1 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gj1 s PHE 130 N -2.57 3.60 0.20 1.24 0.40 -1.26 -3.35 117.98 116.23 3gj1 s PHE 130 Ca 0.00 1.75 -0.30 0.00 -0.60 0.00 0.00 56.93 57.78 3gj1 s PHE 130 Cb 0.00 -3.03 -0.09 0.00 0.51 0.00 0.00 43.02 40.41 3gj1 s PHE 130 CO 0.00 -0.09 1.30 0.15 0.70 0.00 0.00 175.22 177.28 3gj1 s LYS 131 N -2.00 4.40 0.40 0.44 1.02 -1.26 -4.93 119.74 117.80 3gj1 s LYS 131 Ca 0.50 2.04 0.12 0.00 0.02 0.00 0.00 55.97 58.65 3gj1 s LYS 131 Cb -0.22 -3.20 0.83 0.00 -0.52 0.00 0.00 37.83 34.72 3gj1 s LYS 131 CO 0.28 -0.24 1.91 0.93 -0.92 0.00 0.00 175.35 177.31 3gj1 h GLU 132 N 5.37 0.11 -1.08 1.68 5.08 -1.98 -2.15 114.58 121.61 3gj1 h GLU 132 Ca -0.45 -0.03 -0.47 0.00 -1.00 0.00 0.00 59.36 57.42 3gj1 h GLU 132 Cb 1.21 -0.01 -0.41 0.00 0.50 0.00 0.00 28.75 30.04 3gj1 h GLU 132 CO 0.77 0.32 -0.94 -3.47 -1.00 0.00 0.00 179.01 174.69 3gj1 n ASP 133 N -4.24 3.33 -2.84 1.42 2.03 -1.26 -4.06 116.55 110.93 3gj1 n ASP 133 Ca -0.02 -3.19 -0.08 0.00 0.52 0.00 0.00 54.79 52.02 3gj1 n ASP 133 Cb 0.30 -0.46 0.04 0.00 -0.72 0.00 0.00 41.12 40.28 3gj1 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gj1 n GLY 134 N -0.41 0.45 0.28 0.27 0.00 -0.81 -4.76 105.19 100.21 3gj1 n GLY 134 Ca 0.26 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.47 3gj1 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gj1 h ASN 135 N -0.26 0.00 0.00 1.61 2.35 -1.94 -1.73 115.58 115.61 3gj1 h ASN 135 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3gj1 h ASN 135 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3gj1 h ASN 135 CO 0.12 0.06 0.00 -0.38 -1.65 0.00 0.00 177.43 175.58 3gj1 n ILE 136 N -3.84 0.00 0.03 2.81 -0.00 -1.26 -1.37 119.36 115.72 3gj1 n ILE 136 Ca -0.02 0.48 0.11 0.00 -0.00 0.00 0.00 62.75 63.31 3gj1 n ILE 136 Cb 0.15 -1.45 0.55 0.00 -0.00 0.00 0.00 39.64 38.90 3gj1 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3gj1 h LEU 137 N 0.00 0.23 0.00 1.39 3.38 -1.75 -1.80 115.31 116.76 3gj1 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gj1 h LEU 137 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gj1 h LEU 137 CO 0.00 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.29 3gj1 n GLY 138 N -1.54 -1.18 3.63 0.83 0.00 -0.65 -4.92 105.19 101.37 3gj1 n GLY 138 Ca 0.05 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3gj1 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gj1 n HIS 139 N -1.31 -1.97 0.76 1.61 8.25 -0.68 -4.92 115.22 116.96 3gj1 n HIS 139 Ca 0.12 0.53 0.12 0.00 -0.26 0.00 0.00 57.72 58.22 3gj1 n HIS 139 Cb 0.22 -3.57 0.19 0.00 1.12 0.00 0.00 29.99 27.94 3gj1 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gj1 n LYS 140 N -4.07 2.34 -3.27 -0.41 5.02 -0.47 -4.99 118.16 112.31 3gj1 n LYS 140 Ca -0.10 -1.98 -0.39 0.00 -2.02 0.00 0.00 58.31 53.82 3gj1 n LYS 140 Cb 0.60 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 3gj1 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gj1 s LEU 141 N -1.77 4.50 0.55 -0.35 1.43 -1.25 -1.09 118.68 120.70 3gj1 s LEU 141 Ca 0.33 1.22 -0.21 0.00 -1.03 0.00 0.00 54.13 54.44 3gj1 s LEU 141 Cb 0.21 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 3gj1 s LEU 141 CO 0.31 0.24 1.26 -0.62 0.23 0.00 0.00 176.35 177.76 3gj1 n GLU 142 N 1.96 1.49 -2.34 1.70 1.02 0.01 -4.81 120.64 119.67 3gj1 n GLU 142 Ca -0.10 0.55 -0.43 0.00 -0.02 0.00 0.00 57.16 57.17 3gj1 n GLU 142 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 3gj1 n GLU 142 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3gj1 n TYR 143 N -1.15 3.94 -3.29 -0.32 9.36 -1.26 -4.82 117.16 119.63 3gj1 n TYR 143 Ca 0.11 -2.97 -0.03 0.00 3.32 0.00 0.00 57.90 58.33 3gj1 n TYR 143 Cb 0.45 -2.34 0.01 0.00 -0.63 0.00 0.00 39.34 36.82 3gj1 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3gj1 n ASN 144 N 5.97 -0.81 -3.57 2.98 0.23 -1.26 -4.86 115.26 113.94 3gj1 n ASN 144 Ca 0.45 -1.56 -0.14 0.00 -0.53 0.00 0.00 54.58 52.80 3gj1 n ASN 144 Cb 0.41 1.34 -0.06 0.00 -2.08 0.00 0.00 39.78 39.39 3gj1 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3gj1 s TYR 145 N -6.55 -0.57 0.42 -2.53 5.04 -1.26 -4.85 117.35 107.04 3gj1 s TYR 145 Ca 0.06 1.12 0.07 0.00 -2.44 0.00 0.00 57.07 55.88 3gj1 s TYR 145 Cb -0.02 0.39 -0.05 0.00 0.35 0.00 0.00 41.96 42.64 3gj1 s TYR 145 CO 0.04 -0.44 0.19 -0.80 -1.34 0.00 0.00 175.55 173.20 3gj1 s ASN 146 N -0.71 4.46 0.31 4.32 0.01 -1.26 -4.81 114.94 117.26 3gj1 s ASN 146 Ca -0.05 -1.07 -0.23 0.00 -0.71 0.00 0.00 52.86 50.81 3gj1 s ASN 146 Cb -0.02 -0.46 -0.10 0.00 0.41 0.00 0.00 41.25 41.09 3gj1 s ASN 146 CO 0.04 -0.56 0.88 -0.44 -1.51 0.00 0.00 177.10 175.50 3gj1 s SER 147 N -3.92 7.17 0.02 -1.22 0.01 -1.26 -4.50 113.70 110.00 3gj1 s SER 147 Ca 0.41 1.67 -0.00 0.00 1.31 0.00 0.00 55.95 59.34 3gj1 s SER 147 Cb 0.03 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 3gj1 s SER 147 CO 0.23 -0.10 -0.02 -1.00 0.41 0.00 0.00 173.24 172.76 3gj1 s HIS 148 N -1.70 0.27 -0.19 2.43 3.76 -0.49 -4.98 115.29 114.38 3gj1 s HIS 148 Ca 0.50 -0.55 -0.11 0.00 -0.15 0.00 0.00 55.06 54.75 3gj1 s HIS 148 Cb -0.16 -0.20 -0.05 0.00 1.11 0.00 0.00 32.58 33.28 3gj1 s HIS 148 CO 0.21 -0.20 0.19 -0.80 -0.85 0.00 0.00 174.74 173.28 3gj1 s ASN 149 N -1.54 6.27 -0.46 1.40 0.01 -1.26 -1.02 114.94 118.33 3gj1 s ASN 149 Ca -0.15 0.31 -0.13 0.00 -0.71 0.00 0.00 52.86 52.18 3gj1 s ASN 149 Cb -0.09 -2.12 0.08 0.00 0.41 0.00 0.00 41.25 39.53 3gj1 s ASN 149 CO -0.01 0.14 0.36 -0.69 -1.51 0.00 0.00 177.10 175.39 3gj1 s VAL 150 N 0.46 4.87 -0.23 1.60 1.01 0.13 -4.81 120.40 123.43 3gj1 s VAL 150 Ca 0.11 -1.25 -0.28 0.00 0.00 0.00 0.00 61.98 60.56 3gj1 s VAL 150 Cb -0.12 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3gj1 s VAL 150 CO 0.00 -0.60 0.97 -0.31 0.00 0.00 0.00 175.10 175.17 3gj1 s TYR 151 N 1.56 3.33 -0.12 5.22 2.02 -1.23 -1.16 117.35 126.96 3gj1 s TYR 151 Ca 0.04 1.36 -0.02 0.00 -0.37 0.00 0.00 57.07 58.07 3gj1 s TYR 151 Cb -0.25 -3.20 -0.03 0.00 -0.40 0.00 0.00 41.96 38.09 3gj1 s TYR 151 CO 0.04 -0.45 -0.03 0.42 -1.57 0.00 0.00 175.55 173.96 3gj1 s ILE 152 N 3.08 3.96 0.08 2.71 -1.09 0.35 -2.86 121.20 127.42 3gj1 s ILE 152 Ca 0.41 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.52 3gj1 s ILE 152 Cb -0.15 -2.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 3gj1 s ILE 152 CO 0.06 0.54 -0.12 0.28 -1.23 0.00 0.00 174.94 174.47 3gj1 s THR 153 N -0.15 1.00 0.44 2.92 -1.32 -0.59 -2.33 115.64 115.61 3gj1 s THR 153 Ca 0.03 -1.38 -0.24 0.00 -1.21 0.00 0.00 61.69 58.89 3gj1 s THR 153 Cb -0.13 -1.10 -0.08 0.00 -1.51 0.00 0.00 72.50 69.68 3gj1 s THR 153 CO 0.02 -0.34 1.19 0.00 -2.21 0.00 0.00 174.62 173.29 3gj1 s ALA 154 N -1.63 3.04 -0.71 11.08 0.00 -1.25 -1.40 121.76 130.90 3gj1 s ALA 154 Ca -0.01 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.00 3gj1 s ALA 154 Cb -0.08 -3.41 0.21 0.00 0.00 0.00 0.00 23.12 19.84 3gj1 s ALA 154 CO 0.02 -0.69 0.65 -3.47 0.00 0.00 0.00 175.76 172.27 3gj1 n ASP 155 N -0.30 3.52 0.08 0.00 -0.08 0.41 -4.69 116.55 115.49 3gj1 n ASP 155 Ca 0.06 -3.31 0.06 0.00 -1.51 0.00 0.00 54.79 50.10 3gj1 n ASP 155 Cb 0.47 -0.77 0.51 0.00 2.34 0.00 0.00 41.12 43.67 3gj1 n ASP 155 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3gj1 h LYS 156 N 4.97 0.34 0.00 -0.67 5.09 -1.94 -0.92 116.57 123.43 3gj1 h LYS 156 Ca 0.17 -0.02 -0.06 0.00 0.09 0.00 0.00 60.65 60.83 3gj1 h LYS 156 Cb 0.72 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 32.96 3gj1 h LYS 156 CO 0.79 0.22 -0.28 1.96 -2.09 0.00 0.00 179.45 180.06 3gj1 h GLN 157 N 0.35 0.00 -0.54 0.07 1.08 -1.94 -0.39 115.11 113.74 3gj1 h GLN 157 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3gj1 h GLN 157 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3gj1 h GLN 157 CO -0.02 0.28 0.00 1.63 -0.95 0.00 0.00 178.83 179.76 3gj1 n LYS 158 N -3.56 2.60 -3.07 1.46 4.76 -0.45 -4.94 118.16 114.96 3gj1 n LYS 158 Ca -0.01 -2.44 -0.22 0.00 -2.87 0.00 0.00 58.31 52.78 3gj1 n LYS 158 Cb 0.42 -1.53 0.01 0.00 -1.84 0.00 0.00 35.03 32.10 3gj1 n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3gj1 n ASN 159 N 1.52 -4.88 0.00 4.39 5.15 -0.16 -4.43 115.26 116.85 3gj1 n ASN 159 Ca 0.21 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 3gj1 n ASN 159 Cb 0.60 -4.00 0.00 0.00 -0.53 0.00 0.00 39.78 35.85 3gj1 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gj1 n GLY 160 N -1.28 5.08 3.20 8.20 0.00 -0.61 -4.31 105.19 115.47 3gj1 n GLY 160 Ca -0.08 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 3gj1 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gj1 s ILE 161 N 1.64 0.11 0.13 -0.61 -5.25 -0.94 -0.45 121.20 115.84 3gj1 s ILE 161 Ca 0.00 -1.67 0.06 0.00 -0.99 0.00 0.00 60.65 58.06 3gj1 s ILE 161 Cb 0.00 -1.83 -0.04 0.00 2.95 0.00 0.00 42.46 43.54 3gj1 s ILE 161 CO 0.00 -0.52 -0.15 -0.54 -1.79 0.00 0.00 174.94 171.94 3gj1 s LYS 162 N -3.99 1.08 0.03 0.37 1.02 -0.49 -0.74 119.74 117.02 3gj1 s LYS 162 Ca 0.18 -1.27 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 3gj1 s LYS 162 Cb 0.06 -1.00 -0.02 0.00 -0.52 0.00 0.00 37.83 36.35 3gj1 s LYS 162 CO -0.02 0.20 0.01 0.00 -0.92 0.00 0.00 175.35 174.61 3gj1 s ALA 163 N -2.10 0.12 -0.02 5.17 0.00 -0.37 -1.54 121.76 123.02 3gj1 s ALA 163 Ca 0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3gj1 s ALA 163 Cb -0.05 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3gj1 s ALA 163 CO 0.04 -0.23 0.03 -0.80 0.00 0.00 0.00 175.76 174.80 3gj1 s ASN 164 N -1.83 0.01 0.06 0.00 -0.87 -1.14 -0.71 114.94 110.46 3gj1 s ASN 164 Ca -0.10 0.06 -0.27 0.00 -1.57 0.00 0.00 52.86 50.98 3gj1 s ASN 164 Cb -0.05 0.01 0.09 0.00 -0.02 0.00 0.00 41.25 41.27 3gj1 s ASN 164 CO -0.03 -0.07 0.91 0.72 -2.57 0.00 0.00 177.10 176.07 3gj1 s PHE 165 N 0.53 -0.26 -0.14 2.20 -0.12 -0.92 -3.52 117.98 115.75 3gj1 s PHE 165 Ca -0.04 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 56.90 3gj1 s PHE 165 Cb -0.06 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.93 3gj1 s PHE 165 CO -0.02 -0.66 -0.15 0.15 -0.05 0.00 0.00 175.22 174.49 3gj1 s LYS 166 N -3.19 2.40 0.08 1.99 1.02 -1.26 0.01 119.74 120.79 3gj1 s LYS 166 Ca 0.08 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.20 3gj1 s LYS 166 Cb -0.01 -2.13 -0.06 0.00 -0.52 0.00 0.00 37.83 35.11 3gj1 s LYS 166 CO -0.05 -0.18 0.80 0.42 -0.92 0.00 0.00 175.35 175.42 3gj1 s ILE 167 N 1.32 4.62 -0.45 2.17 -1.09 -0.07 -4.88 121.20 122.82 3gj1 s ILE 167 Ca 0.02 1.72 -0.18 0.00 -2.23 0.00 0.00 60.65 59.98 3gj1 s ILE 167 Cb -0.13 -4.16 0.03 0.00 -1.58 0.00 0.00 42.46 36.62 3gj1 s ILE 167 CO -0.09 0.39 0.52 -0.13 -1.23 0.00 0.00 174.94 174.40 3gj1 s ARG 168 N -0.25 3.13 -0.36 2.79 0.52 -1.26 -0.18 118.95 123.34 3gj1 s ARG 168 Ca 0.39 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.74 3gj1 s ARG 168 Cb -0.21 -4.01 0.01 0.00 0.52 0.00 0.00 34.95 31.26 3gj1 s ARG 168 CO 0.25 -0.99 0.21 -1.01 0.02 0.00 0.00 175.30 173.77 3gj1 s HIS 169 N 2.37 3.22 0.12 -0.53 3.76 0.27 -4.55 115.29 119.94 3gj1 s HIS 169 Ca 0.14 -0.75 -0.31 0.00 -0.15 0.00 0.00 55.06 53.99 3gj1 s HIS 169 Cb -0.17 -2.44 -0.07 0.00 1.11 0.00 0.00 32.58 31.00 3gj1 s HIS 169 CO 0.14 -0.57 1.32 -0.80 -0.85 0.00 0.00 174.74 173.98 3gj1 s ASN 170 N 1.60 6.91 0.11 1.40 0.01 -1.26 -0.37 114.94 123.34 3gj1 s ASN 170 Ca 0.03 2.25 -0.00 0.00 -0.71 0.00 0.00 52.86 54.43 3gj1 s ASN 170 Cb -0.18 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.84 3gj1 s ASN 170 CO 0.07 -0.57 0.28 -0.63 -1.51 0.00 0.00 177.10 174.74 3gj1 s ILE 171 N 0.88 5.31 0.54 0.60 1.09 0.40 -0.81 121.20 129.21 3gj1 s ILE 171 Ca 0.61 -0.36 0.22 0.00 -1.10 0.00 0.00 60.65 60.02 3gj1 s ILE 171 Cb -0.35 -3.66 0.32 0.00 -1.06 0.00 0.00 42.46 37.71 3gj1 s ILE 171 CO 0.31 0.04 2.13 -0.33 -0.10 0.00 0.00 174.94 177.00 3gj1 h GLU 172 N 2.72 0.00 0.00 2.79 5.08 -1.40 -1.00 114.58 122.76 3gj1 h GLU 172 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3gj1 h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3gj1 h GLU 172 CO 0.73 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.49 3gj1 n ASP 173 N -4.28 0.00 0.00 1.42 9.92 -1.26 -4.87 116.55 117.48 3gj1 n ASP 173 Ca -0.00 -0.81 0.00 0.00 -0.53 0.00 0.00 54.79 53.45 3gj1 n ASP 173 Cb 0.22 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 3gj1 n ASP 173 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gj1 n GLY 174 N 0.33 1.55 3.96 0.44 0.00 -0.38 -5.07 105.19 106.02 3gj1 n GLY 174 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3gj1 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gj1 s SER 175 N -3.14 3.70 -0.08 1.61 1.04 -1.25 -4.86 113.70 110.72 3gj1 s SER 175 Ca 0.00 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.43 3gj1 s SER 175 Cb 0.00 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.95 3gj1 s SER 175 CO 0.00 -2.32 -0.17 -0.69 0.98 0.00 0.00 173.24 171.04 3gj1 s VAL 176 N -3.54 1.51 -0.26 5.02 1.01 -1.26 -0.45 120.40 122.44 3gj1 s VAL 176 Ca 0.70 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 3gj1 s VAL 176 Cb -0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3gj1 s VAL 176 CO 0.49 0.44 0.38 -1.58 0.00 0.00 0.00 175.10 174.83 3gj1 s GLN 177 N 0.56 4.05 0.08 2.72 2.00 0.50 -4.92 119.66 124.65 3gj1 s GLN 177 Ca -0.16 0.08 -0.23 0.00 -2.00 0.00 0.00 55.36 53.05 3gj1 s GLN 177 Cb -0.17 -3.63 -0.07 0.00 0.80 0.00 0.00 33.01 29.95 3gj1 s GLN 177 CO 0.05 -0.23 0.68 -0.51 -0.50 0.00 0.00 175.29 174.79 3gj1 s LEU 178 N 1.93 4.51 -0.37 3.68 1.43 -1.26 -0.57 118.68 128.02 3gj1 s LEU 178 Ca 0.16 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 3gj1 s LEU 178 Cb -0.16 -3.10 0.11 0.00 0.03 0.00 0.00 46.19 43.07 3gj1 s LEU 178 CO 0.09 0.16 0.09 0.00 0.23 0.00 0.00 176.35 176.93 3gj1 s ALA 179 N -0.69 2.94 0.11 4.21 0.00 0.75 -1.43 121.76 127.66 3gj1 s ALA 179 Ca 0.34 -2.66 -0.31 0.00 0.00 0.00 0.00 51.96 49.33 3gj1 s ALA 179 Cb -0.21 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.84 3gj1 s ALA 179 CO 0.22 -1.75 1.29 0.34 0.00 0.00 0.00 175.76 175.86 3gj1 s ASP 180 N 0.68 6.95 -0.13 0.00 2.15 -0.10 -0.89 116.67 125.33 3gj1 s ASP 180 Ca 0.12 2.21 0.01 0.00 0.43 0.00 0.00 52.55 55.32 3gj1 s ASP 180 Cb -0.20 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 39.82 3gj1 s ASP 180 CO -0.07 -0.55 -0.16 -1.00 -0.17 0.00 0.00 175.17 173.22 3gj1 s HIS 181 N 0.88 2.74 -0.17 -5.34 3.76 0.10 -0.60 115.29 116.66 3gj1 s HIS 181 Ca 0.61 -0.86 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 3gj1 s HIS 181 Cb -0.34 -1.82 0.02 0.00 1.11 0.00 0.00 32.58 31.55 3gj1 s HIS 181 CO 0.31 -0.34 -0.18 -0.47 -0.85 0.00 0.00 174.74 173.21 3gj1 s TYR 182 N 0.48 2.59 -0.03 1.40 6.04 -0.44 -2.16 117.35 125.22 3gj1 s TYR 182 Ca -0.11 -1.51 0.06 0.00 0.04 0.00 0.00 57.07 55.54 3gj1 s TYR 182 Cb -0.16 -1.82 -0.01 0.00 -1.04 0.00 0.00 41.96 38.93 3gj1 s TYR 182 CO 0.05 -0.77 -0.20 -1.14 -1.54 0.00 0.00 175.55 171.96 3gj1 s GLN 183 N 1.35 1.81 -0.06 4.97 0.74 0.11 -1.19 119.66 127.39 3gj1 s GLN 183 Ca 0.05 -0.71 -0.00 0.00 0.05 0.00 0.00 55.36 54.75 3gj1 s GLN 183 Cb -0.13 -1.65 0.02 0.00 1.10 0.00 0.00 33.01 32.35 3gj1 s GLN 183 CO -0.12 0.37 -0.03 -0.65 -0.55 0.00 0.00 175.29 174.30 3gj1 s GLN 184 N -0.27 0.82 0.03 1.67 -0.21 -0.35 -1.23 119.66 120.12 3gj1 s GLN 184 Ca 0.02 -0.03 0.08 0.00 0.02 0.00 0.00 55.36 55.46 3gj1 s GLN 184 Cb -0.10 -0.99 -0.03 0.00 1.00 0.00 0.00 33.01 32.89 3gj1 s GLN 184 CO 0.01 -0.20 -0.23 -0.80 -2.12 0.00 0.00 175.29 171.95 3gj1 s ASN 185 N 1.47 3.39 -0.06 5.90 -0.87 0.08 -1.35 114.94 123.50 3gj1 s ASN 185 Ca -0.02 -0.51 -0.04 0.00 -1.57 0.00 0.00 52.86 50.72 3gj1 s ASN 185 Cb -0.13 -0.42 0.02 0.00 -0.02 0.00 0.00 41.25 40.70 3gj1 s ASN 185 CO -0.03 0.27 0.15 -0.89 -2.57 0.00 0.00 177.10 174.03 3gj1 s THR 186 N -0.82 -0.02 0.63 1.60 2.01 -0.75 -2.20 115.64 116.10 3gj1 s THR 186 Ca 0.12 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 3gj1 s THR 186 Cb -0.10 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 3gj1 s THR 186 CO 0.03 0.03 1.20 -2.84 -0.69 0.00 0.00 174.62 172.35 3gj1 s PRO 187 N 0.52 2.73 -0.06 4.92 0.02 -1.26 -0.35 135.00 141.52 3gj1 s PRO 187 Ca -0.04 1.79 -0.23 0.00 0.02 0.00 0.00 61.00 62.54 3gj1 s PRO 187 Cb -0.05 -1.90 -0.28 0.00 0.02 0.00 0.00 34.50 32.28 3gj1 s PRO 187 CO -0.02 -1.38 0.91 0.82 -0.33 0.00 0.00 177.00 177.00 3gj1 h ILE 188 N 0.51 1.56 -4.19 2.83 2.04 -1.36 -3.44 117.51 115.47 3gj1 h ILE 188 Ca -0.49 -2.37 -0.46 0.00 1.00 0.00 0.00 64.86 62.53 3gj1 h ILE 188 Cb 1.30 3.12 0.13 0.00 -0.74 0.00 0.00 36.82 40.63 3gj1 h ILE 188 CO 0.54 0.66 0.28 -0.83 0.00 0.00 0.00 178.15 178.80 3gj1 s GLY 189 N -4.28 1.57 0.05 5.37 0.00 -1.26 -5.01 107.32 103.76 3gj1 s GLY 189 Ca -0.15 -0.49 0.23 0.00 0.00 0.00 0.00 44.72 44.31 3gj1 s GLY 189 CO 0.79 0.07 1.09 1.22 0.00 0.00 0.00 173.10 176.27 3gj1 n ASP 190 N -3.82 0.63 -2.15 1.64 8.00 -1.26 -4.99 116.55 114.61 3gj1 n ASP 190 Ca 0.06 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3gj1 n ASP 190 Cb 0.59 0.67 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 3gj1 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gj1 n GLY 191 N 1.38 -1.49 3.85 0.44 0.00 -1.26 -5.05 105.19 103.06 3gj1 n GLY 191 Ca 0.02 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3gj1 n GLY 191 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gj1 s PRO 192 N -2.98 3.94 0.41 1.61 0.04 -1.26 -5.06 135.00 131.69 3gj1 s PRO 192 Ca 0.00 0.78 0.04 0.00 0.04 0.00 0.00 61.00 61.87 3gj1 s PRO 192 Cb 0.00 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3gj1 s PRO 192 CO 0.00 -0.11 0.14 0.14 0.04 0.00 0.00 177.00 177.21 3gj1 s VAL 193 N -2.41 0.53 -0.25 -0.36 -7.23 -1.26 -4.90 120.40 104.52 3gj1 s VAL 193 Ca 0.56 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 3gj1 s VAL 193 Cb -0.10 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 3gj1 s VAL 193 CO 0.27 0.00 0.80 -0.76 -0.31 0.00 0.00 175.10 175.10 3gj1 s LEU 194 N -3.60 4.08 -0.28 1.32 1.43 -1.26 -5.05 118.68 115.32 3gj1 s LEU 194 Ca 0.24 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 3gj1 s LEU 194 Cb 0.02 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 3gj1 s LEU 194 CO 0.15 -0.51 0.19 -0.76 0.23 0.00 0.00 176.35 175.65 3gj1 s LEU 195 N 2.82 4.01 0.62 1.79 1.43 -1.26 -3.85 118.68 124.24 3gj1 s LEU 195 Ca 0.34 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 3gj1 s LEU 195 Cb -0.15 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3gj1 s LEU 195 CO 0.08 -0.05 1.03 -2.16 0.23 0.00 0.00 176.35 175.48 3gj1 s PRO 196 N 1.75 3.60 0.80 1.29 0.04 -1.26 -4.92 135.00 136.31 3gj1 s PRO 196 Ca 0.07 0.78 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 3gj1 s PRO 196 Cb -0.16 -2.08 0.07 0.00 0.04 0.00 0.00 34.50 32.37 3gj1 s PRO 196 CO 0.11 -0.57 1.09 -0.51 0.04 0.00 0.00 177.00 177.16 3gj1 s ASP 197 N -4.08 4.44 0.25 6.66 1.01 -1.26 -3.74 116.67 119.95 3gj1 s ASP 197 Ca 0.55 1.36 -0.31 0.00 0.71 0.00 0.00 52.55 54.87 3gj1 s ASP 197 Cb -0.11 -2.10 -0.11 0.00 1.01 0.00 0.00 42.92 41.60 3gj1 s ASP 197 CO 0.52 -2.01 1.62 0.20 0.21 0.00 0.00 175.17 175.71 3gj1 s ASN 198 N -3.83 6.41 0.10 0.27 0.01 -1.26 -4.80 114.94 111.84 3gj1 s ASN 198 Ca 0.61 2.88 -0.05 0.00 -0.71 0.00 0.00 52.86 55.59 3gj1 s ASN 198 Cb -0.15 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 38.91 3gj1 s ASN 198 CO 0.55 -0.91 0.26 0.00 -1.51 0.00 0.00 177.10 175.48 3gj1 n HIS 199 N 2.88 -1.22 -4.13 2.20 1.44 -0.99 -4.75 115.22 110.65 3gj1 n HIS 199 Ca 0.11 -0.50 -0.09 0.00 -2.01 0.00 0.00 57.72 55.23 3gj1 n HIS 199 Cb 0.37 0.25 -0.10 0.00 0.12 0.00 0.00 29.99 30.63 3gj1 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3gj1 s TYR 200 N -6.33 0.72 -0.20 -1.40 -0.85 -0.54 -0.49 117.35 108.26 3gj1 s TYR 200 Ca 0.05 -1.07 -0.06 0.00 -0.52 0.00 0.00 57.07 55.47 3gj1 s TYR 200 Cb -0.01 -0.46 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 3gj1 s TYR 200 CO 0.03 -0.35 0.03 -0.51 -1.52 0.00 0.00 175.55 173.24 3gj1 s LEU 201 N -2.99 3.48 -0.40 -3.49 1.43 -0.31 -0.98 118.68 115.42 3gj1 s LEU 201 Ca 0.13 -0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 3gj1 s LEU 201 Cb 0.07 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3gj1 s LEU 201 CO -0.05 0.08 0.84 -0.55 0.23 0.00 0.00 176.35 176.90 3gj1 s SER 202 N 0.90 6.54 -0.11 2.29 0.15 0.78 -0.70 113.70 123.56 3gj1 s SER 202 Ca 0.02 0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.94 3gj1 s SER 202 Cb -0.14 -2.42 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 3gj1 s SER 202 CO 0.02 -0.84 -0.03 -1.00 1.20 0.00 0.00 173.24 172.59 3gj1 s HIS 203 N 3.32 3.04 -0.01 3.44 3.76 -0.19 -1.96 115.29 126.69 3gj1 s HIS 203 Ca 0.33 -0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 3gj1 s HIS 203 Cb -0.12 -1.84 -0.00 0.00 1.11 0.00 0.00 32.58 31.73 3gj1 s HIS 203 CO 0.20 0.23 -0.07 -0.65 -0.85 0.00 0.00 174.74 173.60 3gj1 s GLN 204 N -0.35 0.63 0.01 1.40 -0.21 -0.12 -1.40 119.66 119.61 3gj1 s GLN 204 Ca 0.06 -0.25 -0.03 0.00 0.02 0.00 0.00 55.36 55.17 3gj1 s GLN 204 Cb -0.12 -0.61 -0.01 0.00 1.00 0.00 0.00 33.01 33.27 3gj1 s GLN 204 CO 0.02 0.13 0.03 -1.12 -2.12 0.00 0.00 175.29 172.24 3gj1 s SER 205 N -0.05 0.13 -0.02 5.90 0.01 -1.26 -1.08 113.70 117.33 3gj1 s SER 205 Ca 0.01 -0.32 -0.00 0.00 1.31 0.00 0.00 55.95 56.95 3gj1 s SER 205 Cb -0.04 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.35 3gj1 s SER 205 CO -0.00 -0.28 0.04 0.00 0.41 0.00 0.00 173.24 173.40 3gj1 s ALA 206 N -1.23 0.07 -0.12 1.44 0.00 -0.31 -4.67 121.76 116.94 3gj1 s ALA 206 Ca -0.13 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 3gj1 s ALA 206 Cb -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3gj1 s ALA 206 CO -0.00 -0.13 0.02 -0.51 0.00 0.00 0.00 175.76 175.14 3gj1 s LEU 207 N 1.12 3.63 0.00 0.00 1.43 -1.26 -1.60 118.68 122.00 3gj1 s LEU 207 Ca -0.09 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3gj1 s LEU 207 Cb -0.13 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 3gj1 s LEU 207 CO -0.03 0.31 0.09 -1.54 0.23 0.00 0.00 176.35 175.40 3gj1 n SER 208 N 2.62 -0.23 -4.24 2.29 3.41 0.16 -4.90 113.62 112.72 3gj1 n SER 208 Ca -0.18 -1.44 -0.19 0.00 -0.26 0.00 0.00 58.87 56.80 3gj1 n SER 208 Cb 0.53 0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 64.83 3gj1 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gj1 s LYS 209 N -2.23 1.03 -0.51 4.33 -0.14 -1.26 -1.19 119.74 119.76 3gj1 s LYS 209 Ca 0.07 -1.21 -0.21 0.00 -1.36 0.00 0.00 55.97 53.26 3gj1 s LYS 209 Cb 0.00 -0.98 0.05 0.00 -1.68 0.00 0.00 37.83 35.22 3gj1 s LYS 209 CO 0.05 0.20 0.74 0.34 -0.76 0.00 0.00 175.35 175.92 3gj1 s ASP 210 N -2.33 6.28 0.00 2.83 -1.08 -1.26 -4.92 116.67 116.19 3gj1 s ASP 210 Ca 0.08 -0.63 0.12 0.00 -0.52 0.00 0.00 52.55 51.59 3gj1 s ASP 210 Cb -0.06 -2.35 0.57 0.00 -1.46 0.00 0.00 42.92 39.62 3gj1 s ASP 210 CO 0.03 -1.00 1.30 -2.65 0.52 0.00 0.00 175.17 173.37 3gj1 n PRO 211 N 6.66 0.13 -0.39 4.34 -0.02 -1.26 -0.38 135.00 144.07 3gj1 n PRO 211 Ca -0.03 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 3gj1 n PRO 211 Cb 0.46 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.74 3gj1 n PRO 211 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gj1 n ASN 212 N -1.34 3.72 -4.49 2.55 5.03 -1.26 -4.91 115.26 114.56 3gj1 n ASN 212 Ca 0.05 -2.10 -0.35 0.00 0.87 0.00 0.00 54.58 53.04 3gj1 n ASN 212 Cb 0.10 -0.47 -0.12 0.00 -1.02 0.00 0.00 39.78 38.28 3gj1 n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3gj1 s GLU 213 N -1.30 3.70 0.03 3.52 2.56 0.48 -4.95 118.70 122.75 3gj1 s GLU 213 Ca 0.44 -0.47 0.22 0.00 0.00 0.00 0.00 54.97 55.16 3gj1 s GLU 213 Cb 0.25 -3.18 -0.14 0.00 2.00 0.00 0.00 34.13 33.06 3gj1 s GLU 213 CO 0.28 0.01 0.81 1.63 -0.56 0.00 0.00 175.26 177.43 3gj1 n LYS 214 N 4.29 0.42 -2.27 4.30 4.01 -1.26 -4.90 118.16 122.75 3gj1 n LYS 214 Ca -0.17 -0.06 -0.32 0.00 -0.51 0.00 0.00 58.31 57.25 3gj1 n LYS 214 Cb 0.52 -1.58 -0.02 0.00 -0.51 0.00 0.00 35.03 33.44 3gj1 n LYS 214 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3gj1 s ARG 215 N -3.31 3.72 0.10 1.97 0.52 -1.26 -4.99 118.95 115.70 3gj1 s ARG 215 Ca -0.00 1.04 -0.31 0.00 -0.52 0.00 0.00 55.73 55.94 3gj1 s ARG 215 Cb 0.14 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 33.42 3gj1 s ARG 215 CO 0.85 -0.46 1.78 0.34 0.02 0.00 0.00 175.30 177.82 3gj1 s ASP 216 N -2.99 6.49 0.25 0.23 2.15 -1.26 -4.96 116.67 116.58 3gj1 s ASP 216 Ca 0.60 2.65 -0.16 0.00 0.43 0.00 0.00 52.55 56.07 3gj1 s ASP 216 Cb -0.12 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 3gj1 s ASP 216 CO 0.34 -0.97 0.56 -1.38 -0.17 0.00 0.00 175.17 173.54 3gj1 s HIS 217 N 2.85 0.11 -0.07 -5.34 -3.43 -1.26 -1.43 115.29 106.72 3gj1 s HIS 217 Ca 0.79 -0.50 -0.03 0.00 -0.80 0.00 0.00 55.06 54.52 3gj1 s HIS 217 Cb -0.43 0.38 0.04 0.00 -1.43 0.00 0.00 32.58 31.14 3gj1 s HIS 217 CO 0.35 -1.05 0.16 1.41 -2.00 0.00 0.00 174.74 173.61 3gj1 s MET 218 N -3.96 0.10 -0.18 -0.38 1.75 -0.27 -4.96 119.30 111.41 3gj1 s MET 218 Ca 0.16 0.41 -0.09 0.00 -1.25 0.00 0.00 55.69 54.92 3gj1 s MET 218 Cb -0.02 -0.18 -0.05 0.00 2.84 0.00 0.00 34.83 37.42 3gj1 s MET 218 CO 0.06 -0.18 0.11 0.08 -0.65 0.00 0.00 175.02 174.45 3gj1 s VAL 219 N 1.28 5.26 -0.07 10.11 1.01 -0.34 -0.83 120.40 136.83 3gj1 s VAL 219 Ca -0.08 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3gj1 s VAL 219 Cb -0.11 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.91 3gj1 s VAL 219 CO -0.06 0.48 -0.07 -0.22 0.00 0.00 0.00 175.10 175.23 3gj1 s LEU 220 N 0.07 1.33 -0.07 3.92 2.96 0.05 -0.67 118.68 126.27 3gj1 s LEU 220 Ca 0.08 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3gj1 s LEU 220 Cb -0.11 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 3gj1 s LEU 220 CO -0.00 -0.05 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.61 3gj1 s LEU 221 N 1.10 2.73 0.01 -0.68 2.96 -0.62 -1.53 118.68 122.64 3gj1 s LEU 221 Ca -0.07 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3gj1 s LEU 221 Cb -0.14 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3gj1 s LEU 221 CO -0.01 0.31 0.04 -0.70 -1.32 0.00 0.00 176.35 174.67 3gj1 s GLU 222 N -0.51 0.35 -0.06 1.98 2.12 -0.56 -1.16 118.70 120.86 3gj1 s GLU 222 Ca 0.07 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.95 3gj1 s GLU 222 Cb -0.12 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.42 3gj1 s GLU 222 CO 0.02 -0.07 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.49 3gj1 s PHE 223 N -1.29 1.36 -0.05 5.30 0.08 -0.24 -0.38 117.98 122.76 3gj1 s PHE 223 Ca -0.14 -0.49 -0.00 0.00 0.12 0.00 0.00 56.93 56.41 3gj1 s PHE 223 Cb -0.08 -1.01 0.03 0.00 -0.57 0.00 0.00 43.02 41.38 3gj1 s PHE 223 CO 0.00 -0.27 0.00 0.08 -0.10 0.00 0.00 175.22 174.94 3gj1 s VAL 224 N 0.71 0.27 0.00 -0.44 1.01 0.11 -0.95 120.40 121.11 3gj1 s VAL 224 Ca -0.14 0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3gj1 s VAL 224 Cb -0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 3gj1 s VAL 224 CO 0.03 0.20 -0.05 -0.89 0.00 0.00 0.00 175.10 174.39 3gj1 s THR 225 N 1.49 0.41 0.30 3.92 2.01 -0.83 -1.06 115.64 121.88 3gj1 s THR 225 Ca -0.03 -0.37 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 3gj1 s THR 225 Cb -0.13 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.91 3gj1 s THR 225 CO -0.03 0.02 0.84 0.00 -0.69 0.00 0.00 174.62 174.76 3gj1 s ALA 226 N -0.35 3.28 0.15 7.40 0.00 -0.32 -0.15 121.76 131.76 3gj1 s ALA 226 Ca -0.00 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 3gj1 s ALA 226 Cb -0.03 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.09 3gj1 s ALA 226 CO -0.00 0.24 0.23 0.00 0.00 0.00 0.00 175.76 176.23 3gj1 n ALA 227 N 0.41 -0.30 -0.04 0.00 0.00 -0.15 -4.54 120.51 115.89 3gj1 n ALA 227 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3gj1 n ALA 227 Cb 0.51 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.45 3gj1 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj1 n GLY 228 N -0.23 0.41 3.09 0.00 0.00 -1.26 -1.46 105.19 105.73 3gj1 n GLY 228 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3gj1 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gj1 s ILE 229 N -2.09 2.33 -2.00 -0.61 1.01 -1.26 -4.84 121.20 113.74 3gj1 s ILE 229 Ca 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 60.65 59.07 3gj1 s ILE 229 Cb 0.00 -2.39 0.15 0.00 0.01 0.00 0.00 42.46 40.24 3gj1 s ILE 229 CO 0.00 -0.08 0.79 0.35 0.00 0.00 0.00 174.94 176.00